ethyl 2-[5-(2-fluorophenyl)-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[5-(2-fluorophenyl)-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(benzyloxycarbonylamino)-5-(2-fluorophenyl)-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5-(2-fluorophenyl)-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-fluorophenyl)-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)-5-(2-fluorophenyl)-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C28H26FN3O5 MolecularWeight: 503.521543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C(N=C(C2=C1C(=CC=C2)C)C3=CC=CC=C3F)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C(=O)C(N=C(C2=C1C(=CC=C2)C)C3=CC=CC=C3F)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H26FN3O5/c1-3-36-23(33)16-32-25-18(2)10-9-14-21(25)24(20-13-7-8-15-22(20)29)30-26(27(32)34)31-28(35)37-17-19-11-5-4-6-12-19/h4-15,26H,3,16-17H2,1-2H3,(H,31,35)